Detailed information for compound 1405795

Basic information

Technical information
  • TDR Targets ID: 1405795
  • Name: SR-01000642525-1
  • MW: 261.316 | Formula: C15H19NO3
  • H donors: 1 H acceptors: 3 LogP: 1.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)C(=O)O)CCc1ccccc1
  • InChi: 1S/C15H19NO3/c17-14(7-6-12-4-2-1-3-5-12)16-10-8-13(9-11-16)15(18)19/h1-5,13H,6-11H2,(H,18,19)
  • InChiKey: WQOSVYASWDJHLK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid
  • MLS000850316
  • SMR000456334
  • Maybridge3_002462
  • HTS 06688
  • IDI1_013849
  • Oprea1_305061

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0035 0.0012 0.0171
Echinococcus granulosus tyrosine kinase 0.0033 0.0006 0.0006
Onchocerca volvulus Mitochondrial Rho GTPase homolog 0.0139 0.0332 1
Trypanosoma cruzi hypothetical protein, conserved 0.0139 0.0332 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0033 0.0006 0.0006
Onchocerca volvulus 0.0139 0.0332 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0033 0.0006 0.0006
Echinococcus multilocularis c src tyrosine kinase 0.0033 0.0006 0.0006
Brugia malayi Ras-related protein ypt4 0.0139 0.0332 0.0335
Echinococcus granulosus tyrosine protein kinase Srms 0.0033 0.0006 0.0006
Entamoeba histolytica hypothetical protein 0.0139 0.0332 1
Onchocerca volvulus 0.0033 0.0006 0.0188
Brugia malayi Protein kinase domain containing protein 0.0033 0.0006 0.0006
Giardia lamblia Kinase, TTK 0.0081 0.0155 1
Plasmodium falciparum ras-related protein Rab-5A 0.0139 0.0332 1
Brugia malayi Protein kinase domain containing protein 0.3254 0.9932 1
Onchocerca volvulus 0.0033 0.0006 0.0188
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0033 0.0006 0.0006
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase Lyn 0.0042 0.0034 0.0034
Onchocerca volvulus 0.0033 0.0006 0.0188
Loa Loa (eye worm) hypothetical protein 0.0139 0.0332 0.0329
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0033 0.0006 0.0006
Brugia malayi protein-tyrosine kinase 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0033 0.0006 0.0006
Trypanosoma cruzi hypothetical protein, conserved 0.0139 0.0332 1
Brugia malayi Protein kinase domain containing protein 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase Src42A 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0033 0.0006 0.0006
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0155 0.4671
Brugia malayi hypothetical protein 0.0033 0.0006 0.0006
Brugia malayi Protein kinase domain containing protein 0.0081 0.0155 0.0156
Echinococcus multilocularis tyrosine protein kinase Blk 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase shark 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Srms 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine kinase 0.0033 0.0006 0.0006
Brugia malayi SH2 domain containing protein 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase Src64B 0.0033 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0139 0.0332 0.0329
Entamoeba histolytica hypothetical protein 0.0139 0.0332 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.0332 0.0329
Echinococcus multilocularis tyrosine protein kinase shark 0.0033 0.0006 0.0006
Brugia malayi Protein kinase domain containing protein 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase Fyn 0.0033 0.0006 0.0006
Leishmania major hypothetical protein, conserved 0.0139 0.0332 1
Trypanosoma cruzi hypothetical protein, conserved 0.0139 0.0332 1
Entamoeba histolytica protein kinase, putative 0.0035 0.0012 0.0171
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase Fyn 0.0033 0.0006 0.0006
Trichomonas vaginalis TKL family protein kinase 0.0034 0.0008 0.0255
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0033 0.0006 0.0006
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0081 0.0155 0.4569
Brugia malayi SRC-1 0.0033 0.0006 0.0006
Trypanosoma brucei Rab-like 5, small G protein 0.0139 0.0332 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0139 0.0332 1
Leishmania major hypothetical protein, conserved 0.0139 0.0332 1
Loa Loa (eye worm) TTK protein kinase 0.0081 0.0155 0.015
Brugia malayi SH2 domain containing protein 0.0033 0.0006 0.0006
Trichomonas vaginalis GTP binding protein rare7l, putative 0.0139 0.0332 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Abl 0.0033 0.0006 0.0006
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0155 0.4671
Entamoeba histolytica hypothetical protein 0.0034 0.0008 0.0068
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.3254 0.9932 1
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0081 0.0155 0.0155
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0081 0.0155 0.0156
Trichomonas vaginalis hypothetical protein 0.0139 0.0332 1
Echinococcus granulosus rab protein 3 0.0139 0.0332 0.0332
Brugia malayi hypothetical protein 0.0139 0.0332 0.0335
Echinococcus granulosus c src tyrosine kinase 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0033 0.0006 0.0006
Trypanosoma cruzi Rab-like 5, small G protein 0.0139 0.0332 1
Onchocerca volvulus 0.0033 0.0006 0.0188
Echinococcus multilocularis ras-related protein rab-5 0.0139 0.0332 0.0335
Brugia malayi RAB, member of RAS oncogene family-like 5 0.0139 0.0332 0.0335
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0033 0.0006 0.0006
Brugia malayi Protein kinase domain containing protein 0.0033 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase Blk 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase ABL1 0.0033 0.0006 0.0006
Echinococcus multilocularis rab protein 3 0.0139 0.0332 0.0335
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0033 0.0006 0.0006
Plasmodium vivax ras-related protein Rab-5A, putative 0.0139 0.0332 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0081 0.0155 0.4671
Echinococcus granulosus tyrosine protein kinase Fyn 0.0033 0.0006 0.0006
Onchocerca volvulus 0.0033 0.0006 0.0188
Echinococcus granulosus GTP binding protein Parf 0.0139 0.0332 0.0332
Echinococcus multilocularis GTP binding protein Parf 0.0139 0.0332 0.0335
Schistosoma mansoni hypothetical protein 0.0139 0.0332 1
Loa Loa (eye worm) TKL/LRRK protein kinase 0.3254 0.9932 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0033 0.0006 0.0006
Onchocerca volvulus 0.0033 0.0006 0.0188
Brugia malayi Protein kinase domain containing protein 0.0033 0.0006 0.0006
Echinococcus granulosus tyrosine kinase 0.0033 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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